1-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene

C6F12O4 — CID 11046707

IUPAC1-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene
SMILESFC(F)=C(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C6F12O4/c7-1(8)2(9)19-4(13,14)21-6(17,18)22-5(15,16)20-3(10,11)12
InChIKeyPCTDBJFNGWPMCY-UHFFFAOYSA-N
MW364.04 g/mol
LogP4.26
Rot. Bonds7

About 1-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene

1-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene (PubChem CID 11046707) has the molecular formula C6F12O4 and a molecular weight of 364.04 g/mol. Its IUPAC name is 1-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene.

Molecular Properties

Compound Name1-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene
PubChem CID11046707
Molecular FormulaC6F12O4
Molecular Weight364.04 g/mol
Exact Mass363.96
IUPAC Name1-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene
SMILESFC(F)=C(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C6F12O4/c7-1(8)2(9)19-4(13,14)21-6(17,18)22-5(15,16)20-3(10,11)12
InChIKeyPCTDBJFNGWPMCY-UHFFFAOYSA-N
XLogP4.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.04
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3-Dioxole, 2,2,4-trifluoro-5-(trifluoromethoxy)-
CID 9837206
1,1'-((Difluoromethylene)bis(oxy))bis(1,2,2-trifluoroethylene)
CID 83770
1-[Difluoro(pentafluoroethoxy)methoxy]-1,2,2-trifluoroethene
CID 15515048
1-[Difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene
CID 71405026
Perfluorodioxole
CID 11744752
2,2,4,5-Tetrafluoro-1,3-dioxole;1,1,2,2-tetrafluoroethene
CID 130234351
1,1,2,2-Tetrafluoroethene;2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxole
CID 158663025
Perfluoro-2-ethyl-1,3-dioxole
CID 14716214
(2,2,5-Trifluoro-1,3-dioxol-4-yl) hypofluorite
CID 21040471
1,1,1,3,3,3-Hexafluoro-2-(1,2,2-trifluoroethenoxy)-2-(trifluoromethoxy)propane
CID 22119357
1,1-Bis(trifluoromethoxy)-2,2-difluoroethene
CID 22292402
2,4,5-Trifluoro-2-(trifluoromethyl)-1,3-dioxole
CID 23318178

Frequently Asked Questions

What is the IUPAC name of 1-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene?
The IUPAC name of 1-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene (CID 11046707) is 1-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene.
What is the SMILES notation for 1-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene?
The canonical SMILES for 1-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene is FC(F)=C(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)F.
What is the InChIKey of 1-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene?
The InChIKey is PCTDBJFNGWPMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F12O4/c7-1(8)2(9)19-4(13,14)21-6(17,18)22-5(15,16)20-3(10,11)12.
What are the key properties of 1-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene?
1-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene has a molecular weight of 364.04 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene is sourced from PubChem (CID 11046707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).